1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyethoxy)piperidine

C16H29N3O2 — CID 77084666

IUPAC1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyethoxy)piperidine
SMILESCOCCOC1CCN(Cc2cc(C(C)(C)C)n[nH]2)CC1
InChIInChI=1S/C16H29N3O2/c1-16(2,3)15-11-13(17-18-15)12-19-7-5-14(6-8-19)21-10-9-20-4/h11,14H,5-10,12H2,1-4H3,(H,17,18)
InChIKeyRVUPYZZGFPZZTD-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.33
Rot. Bonds6

About 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyethoxy)piperidine

1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyethoxy)piperidine (PubChem CID 77084666) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyethoxy)piperidine.

Molecular Properties

Compound Name1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyethoxy)piperidine
PubChem CID77084666
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyethoxy)piperidine
SMILESCOCCOC1CCN(Cc2cc(C(C)(C)C)n[nH]2)CC1
InChIInChI=1S/C16H29N3O2/c1-16(2,3)15-11-13(17-18-15)12-19-7-5-14(6-8-19)21-10-9-20-4/h11,14H,5-10,12H2,1-4H3,(H,17,18)
InChIKeyRVUPYZZGFPZZTD-UHFFFAOYSA-N
XLogP2.33
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyethoxy)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyethoxy)piperidine?
The IUPAC name of 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyethoxy)piperidine (CID 77084666) is 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyethoxy)piperidine.
What is the SMILES notation for 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyethoxy)piperidine?
The canonical SMILES for 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyethoxy)piperidine is COCCOC1CCN(Cc2cc(C(C)(C)C)n[nH]2)CC1.
What is the InChIKey of 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyethoxy)piperidine?
The InChIKey is RVUPYZZGFPZZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-16(2,3)15-11-13(17-18-15)12-19-7-5-14(6-8-19)21-10-9-20-4/h11,14H,5-10,12H2,1-4H3,(H,17,18).
What are the key properties of 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyethoxy)piperidine?
1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyethoxy)piperidine has a molecular weight of 295.43 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyethoxy)piperidine is sourced from PubChem (CID 77084666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).